2-(ethanoylsulfanylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-5-phenyl-pentanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-5-phenyl-pentanoic acid CAS Name: 2-[(acetylthio)methyl]-5-phenylpentanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-5-phenylpentanoic acid Traditional Name: 2-[(acetylthio)methyl]-5-phenyl-valeric acid Formula: C14H18O3S MolecularWeight: 266.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCC(CCCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18O3S/c1-11(15)18-10-13(14(16)17)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17)